2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide

C23H31N3O3S — CID 8916279

IUPAC2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(C)c1ccc(CN(CC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C2CC2)cc1
InChIInChI=1S/C23H31N3O3S/c1-16(2)19-6-4-18(5-7-19)14-26(21-10-11-21)15-23(27)25-17(3)20-8-12-22(13-9-20)30(24,28)29/h4-9,12-13,16-17,21H,10-11,14-15H2,1-3H3,(H,25,27)(H2,24,28,29)/t17-/m1/s1
InChIKeyPCIRCVJVMJKNMC-QGZVFWFLSA-N
MW429.59 g/mol
LogP3.30
Rot. Bonds9

About 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide

2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 8916279) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID8916279
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(C)c1ccc(CN(CC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C2CC2)cc1
InChIInChI=1S/C23H31N3O3S/c1-16(2)19-6-4-18(5-7-19)14-26(21-10-11-21)15-23(27)25-17(3)20-8-12-22(13-9-20)30(24,28)29/h4-9,12-13,16-17,21H,10-11,14-15H2,1-3H3,(H,25,27)(H2,24,28,29)/t17-/m1/s1
InChIKeyPCIRCVJVMJKNMC-QGZVFWFLSA-N
XLogP3.30
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8540898
4-[[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide
CID 43054825
2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(ethylcarbamoyl)acetamide
CID 8915748
2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18154510
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8595170
N-[1-(3-chlorophenyl)ethyl]-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 18088736
2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(3-methylbutan-2-yl)acetamide
CID 60502680
2-(N-benzyl-4-methylanilino)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 30781190
3-cyclopentyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide
CID 8895164
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 4-ethylbenzoate
CID 9230085
N-(1-cyanocyclohexyl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 36932366

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide (CID 8916279) is 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide is CC(C)c1ccc(CN(CC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C2CC2)cc1.
What is the InChIKey of 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is PCIRCVJVMJKNMC-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-16(2)19-6-4-18(5-7-19)14-26(21-10-11-21)15-23(27)25-17(3)20-8-12-22(13-9-20)30(24,28)29/h4-9,12-13,16-17,21H,10-11,14-15H2,1-3H3,(H,25,27)(H2,24,28,29)/t17-/m1/s1.
What are the key properties of 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide?
2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 429.59 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 8916279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).